1-(4-chloro-2-fluorophenyl)-4-(3,4-dichlorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid

C19H11Cl3FNO3 — CID 169258446

IUPAC1-(4-chloro-2-fluorophenyl)-4-(3,4-dichlorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc(Cl)c(Cl)c2)c(C(=O)O)c(=O)n1-c1ccc(Cl)cc1F
InChIInChI=1S/C19H11Cl3FNO3/c1-9-6-12(10-2-4-13(21)14(22)7-10)17(19(26)27)18(25)24(9)16-5-3-11(20)8-15(16)23/h2-8H,1H3,(H,26,27)
InChIKeyZDAWHXKXBVVPJJ-UHFFFAOYSA-N
MW426.66 g/mol
LogP5.61
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-4-(3,4-dichlorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid

1-(4-chloro-2-fluorophenyl)-4-(3,4-dichlorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 169258446) has the molecular formula C19H11Cl3FNO3 and a molecular weight of 426.66 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-4-(3,4-dichlorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-4-(3,4-dichlorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID169258446
Molecular FormulaC19H11Cl3FNO3
Molecular Weight426.66 g/mol
Exact Mass424.98
IUPAC Name1-(4-chloro-2-fluorophenyl)-4-(3,4-dichlorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc(Cl)c(Cl)c2)c(C(=O)O)c(=O)n1-c1ccc(Cl)cc1F
InChIInChI=1S/C19H11Cl3FNO3/c1-9-6-12(10-2-4-13(21)14(22)7-10)17(19(26)27)18(25)24(9)16-5-3-11(20)8-15(16)23/h2-8H,1H3,(H,26,27)
InChIKeyZDAWHXKXBVVPJJ-UHFFFAOYSA-N
XLogP5.61
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.66
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-(3,4-dichlorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-(3,4-dichlorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid (CID 169258446) is 1-(4-chloro-2-fluorophenyl)-4-(3,4-dichlorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-4-(3,4-dichlorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-4-(3,4-dichlorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid is Cc1cc(-c2ccc(Cl)c(Cl)c2)c(C(=O)O)c(=O)n1-c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-4-(3,4-dichlorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is ZDAWHXKXBVVPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3FNO3/c1-9-6-12(10-2-4-13(21)14(22)7-10)17(19(26)27)18(25)24(9)16-5-3-11(20)8-15(16)23/h2-8H,1H3,(H,26,27).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-4-(3,4-dichlorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
1-(4-chloro-2-fluorophenyl)-4-(3,4-dichlorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 426.66 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-4-(3,4-dichlorophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 169258446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).